5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

C9H9ClF4N2O2S2 — CID 106425795

IUPAC5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCSC(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C9H9ClF4N2O2S2/c10-5-3-6(11)7(15)4-8(5)20(17,18)16-1-2-19-9(12,13)14/h3-4,16H,1-2,15H2
InChIKeyVWJGVJVFJZQSHM-UHFFFAOYSA-N
MW352.76 g/mol
LogP2.59
Rot. Bonds5

About 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 106425795) has the molecular formula C9H9ClF4N2O2S2 and a molecular weight of 352.76 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID106425795
Molecular FormulaC9H9ClF4N2O2S2
Molecular Weight352.76 g/mol
Exact Mass351.97
IUPAC Name5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCSC(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C9H9ClF4N2O2S2/c10-5-3-6(11)7(15)4-8(5)20(17,18)16-1-2-19-9(12,13)14/h3-4,16H,1-2,15H2
InChIKeyVWJGVJVFJZQSHM-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125686

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (CID 106425795) is 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCCSC(F)(F)F)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is VWJGVJVFJZQSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF4N2O2S2/c10-5-3-6(11)7(15)4-8(5)20(17,18)16-1-2-19-9(12,13)14/h3-4,16H,1-2,15H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 352.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106425795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).